methyl 2-[1-bromanyl-6-[(2-butyl-1-benzofuran-3-yl)carbonyl]naphthalen-2-yl]oxy-3-phenyl-propanoate

Systemtic Name: methyl 2-[1-bromanyl-6-[(2-butyl-1-benzofuran-3-yl)carbonyl]naphthalen-2-yl]oxy-3-phenyl-propanoate Openeye Name: methyl 2-[[1-bromo-6-(2-butylbenzofuran-3-carbonyl)-2-naphthyl]oxy]-3-phenyl-propanoate CAS Name: 2-[[1-bromo-6-[(2-butyl-3-benzofuranyl)-oxomethyl]-2-naphthalenyl]oxy]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-[1-bromo-6-(2-butyl-1-benzofuran-3-carbonyl)naphthalen-2-yl]oxy-3-phenylpropanoate Traditional Name: 2-[1-bromo-6-(2-butylbenzofuran-3-carbonyl)-2-naphthoxy]-3-phenyl-propionic acid methyl ester Formula: C33H29BrO5 MolecularWeight: 585.48436

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC4=C(C=C3)C(=C(C=C4)OC(CC5=CC=CC=C5)C(=O)OC)Br

Isomeric SMILES

CCCCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC4=C(C=C3)C(=C(C=C4)OC(CC5=CC=CC=C5)C(=O)OC)Br

InChI

InChI=1S/C33H29BrO5/c1-3-4-13-27-30(25-12-8-9-14-26(25)38-27)32(35)23-15-17-24-22(20-23)16-18-28(31(24)34)39-29(33(36)37-2)19-21-10-6-5-7-11-21/h5-12,14-18,20,29H,3-4,13,19H2,1-2H3